Information card for entry 7707313

Structure parameters

• Formula: C21 H18 Br Cu N3 O4
• Calculated formula: C21 H18 Br Cu N3 O4
• SMILES: [Cu]12(Oc3c(C(=[N]2N=C(O1)c1ccccc1)C)c(=O)oc(c3)C)[NH2]c1ccc(Br)cc1
• Title of publication: Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections
• Authors of publication: ., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.0332 ± 0.0003 Å
• b: 9.2739 ± 0.0003 Å
• c: 14.3155 ± 0.0004 Å
• α: 98.566 ± 0.002°
• β: 98.464 ± 0.002°
• γ: 115.332 ± 0.003°
• Cell volume: 1041.57 ± 0.07 ų
• Cell temperature: 152 ± 5 K
• Ambient diffraction temperature: 152 ± 5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No